CID 59256

102239-85-0

Structural Information

Molecular Formula
C20H25NO3
SMILES
COC1=C(C=CC(=C1)N)OCCCCCCC(=O)C2=CC=CC=C2
InChI
InChI=1S/C20H25NO3/c1-23-20-15-17(21)12-13-19(20)24-14-8-3-2-7-11-18(22)16-9-5-4-6-10-16/h4-6,9-10,12-13,15H,2-3,7-8,11,14,21H2,1H3
InChIKey
OUSJFBMSVSXUNR-UHFFFAOYSA-N
Compound name
7-(4-amino-2-methoxyphenoxy)-1-phenylheptan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.18344 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.19072 180.6
[M+Na]+ 350.17266 185.2
[M-H]- 326.17616 185.9
[M+NH4]+ 345.21726 193.7
[M+K]+ 366.14660 181.2
[M+H-H2O]+ 310.18070 171.5
[M+HCOO]- 372.18164 203.1
[M+CH3COO]- 386.19729 212.7
[M+Na-2H]- 348.15811 182.0
[M]+ 327.18289 183.7
[M]- 327.18399 183.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.